4-[(2S)-4-(2-methylpropyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2S)-4-(2-methylpropyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2S)-4-isobutyl-2-isopropyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2S)-4-(2-methylpropyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2S)-4-(2-methylpropyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2S)-4-isobutyl-2-isopropyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C19H24NO5- MolecularWeight: 346.39756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)C(=O)CCC(=O)[O-])OC(C1=O)C(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)C(=O)CCC(=O)[O-])O[C@H](C1=O)C(C)C

InChI

InChI=1S/C19H25NO5/c1-11(2)10-20-14-9-13(15(21)6-8-17(22)23)5-7-16(14)25-18(12(3)4)19(20)24/h5,7,9,11-12,18H,6,8,10H2,1-4H3,(H,22,23)/p-1/t18-/m0/s1